[(N'-cyanocarbamimidoyl)amino] perchlorate

C2H3ClN4O4 — CID 87628145

IUPAC[(N'-cyanocarbamimidoyl)amino] perchlorate
SMILESN#C/N=C(\N)NO[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C2H3ClN4O4/c4-1-6-2(5)7-11-3(8,9)10/h(H3,5,6,7)
InChIKeyGBHNYJCWKXDZFK-UHFFFAOYSA-N
MW182.52 g/mol
LogP-4.80
Rot. Bonds2

About [(N'-cyanocarbamimidoyl)amino] perchlorate

[(N'-cyanocarbamimidoyl)amino] perchlorate (PubChem CID 87628145) has the molecular formula C2H3ClN4O4 and a molecular weight of 182.52 g/mol. Its IUPAC name is [(N'-cyanocarbamimidoyl)amino] perchlorate.

Molecular Properties

Compound Name[(N'-cyanocarbamimidoyl)amino] perchlorate
PubChem CID87628145
Molecular FormulaC2H3ClN4O4
Molecular Weight182.52 g/mol
Exact Mass181.98
IUPAC Name[(N'-cyanocarbamimidoyl)amino] perchlorate
SMILESN#C/N=C(\N)NO[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C2H3ClN4O4/c4-1-6-2(5)7-11-3(8,9)10/h(H3,5,6,7)
InChIKeyGBHNYJCWKXDZFK-UHFFFAOYSA-N
XLogP-4.80
TPSA152.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.52
LogP ≤ 5-4.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-1-[(N'-cyanocarbamimidoyl)amino]guanidine
CID 91179638
methyl N'-cyanocarbamimidate
CID 15646036
2-((15N)azanylidyne(113C)methyl)(13C)guanidine
CID 172880658
CID 87768298
CID 87768298
azane;2-cyanoguanidine
CID 21470607
2-cyano-1-pyrrolidin-1-ylguanidine
CID 174836086
bis(2-cyanoguanidine);cyclohexane
CID 23431649
benzene;2-cyanoguanidine
CID 174939273
dicyanomethylidenecyanamide
CID 14040994
N-(N'-cyanocarbamimidoyl)-4-nitrobenzamide
CID 136867123
1-[[[amino-(cyanoamino)methylidene]amino]methyl]-3-cyano-2-[[(N'-cyanocarbamimidoyl)amino]methyl]guanidine
CID 176520531
disilver;tetrakis(2-cyanoguanidine);ditetrafluoroborate
CID 139047796

Frequently Asked Questions

What is the IUPAC name of [(N'-cyanocarbamimidoyl)amino] perchlorate?
The IUPAC name of [(N'-cyanocarbamimidoyl)amino] perchlorate (CID 87628145) is [(N'-cyanocarbamimidoyl)amino] perchlorate.
What is the SMILES notation for [(N'-cyanocarbamimidoyl)amino] perchlorate?
The canonical SMILES for [(N'-cyanocarbamimidoyl)amino] perchlorate is N#C/N=C(\N)NO[Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(N'-cyanocarbamimidoyl)amino] perchlorate?
The InChIKey is GBHNYJCWKXDZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClN4O4/c4-1-6-2(5)7-11-3(8,9)10/h(H3,5,6,7).
What are the key properties of [(N'-cyanocarbamimidoyl)amino] perchlorate?
[(N'-cyanocarbamimidoyl)amino] perchlorate has a molecular weight of 182.52 g/mol, XLogP of -4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(N'-cyanocarbamimidoyl)amino] perchlorate is sourced from PubChem (CID 87628145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).